Structure of PDB 1fml Chain B Binding Site BS01

Receptor Information

>1fml Chain B (length=341) Species: 7108 (Spodoptera frugiperda)

LPFPYEFRELNPEEDKLVKANLGAFPTTYVKLGPKGYMVYRPYLKDAANI
YNMPLRPTDVFVASYQRSGTTMTQELVWLIENDLNFEAAKTYMSLRYIYL
DGFMIYDPEKQEEYNDILPNPENLDMERYLGLLEYSSRPGSSLLAAVPPT
EKRFVKTHLPLSLMPPNMLDTVKMVYLARDPRDVAVSSFHHARLLYLLNK
QSNFKDFWEMFHRGLYTLTPYFEHVKEAWAKRHDPNMLFLFYEDYLKDLP
GCIARIADFLGKKLSEEQIQRLCEHLNFEKFKNNGAVNMEDYREIGILAD
GEHFIRKGKAGCWRDYFDEEMTKQAEKWIKDNLKDTDLRYP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 1fml Chain B Residue 550

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1fml A helical lid converts a sulfotransferase to a dehydratase.
• Resolution: 2.75 Å
• Binding residue (original residue number in PDB): N121 D122
• Binding residue (residue number reindexed from 1): N115 D116
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R73 H164 S193
• Catalytic site (residue number reindexed from 1): R67 H158 S187

Gene Ontology

Molecular Function

• GO:0008146 sulfotransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0051923 sulfation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1fml, PDBe:1fml, PDBj:1fml
• PDBsum: 1fml
• PubMed: 11323722
• UniProt: Q26490